HRID674702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

2 次

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2740497

5-(METHYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID

C6H6O4S2

结构：CC(CC(O)C(N)Cc1ccccc1)C(=O)NCCC(C)(C)C

HCID178450601

未命名化合物

PRODUCTS

生成物

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)NCCC(C)(C)C

HCID178450432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d74169823c943b3b7067b0d36ec2aaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:28](=[O:29])[OH:30])[s:27]1.[CH3:31][C:32]([CH2:33][CH2:34][NH:35][C:36]([CH:37]([CH2:38][CH:39]([CH:40]([CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[NH2:48])[OH:49])[CH3:50])=[O:51])([CH3:52])[CH3:53].[Cl:11][CH2:12][Cl:13].[Cl:59][CH2:60][Cl:61].[O:14]=[CH:15][N:16]([CH3:17])[CH3:18].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH:1][n:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[n:9][n:10]1>>[CH3:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([C:28](=[O:30])[NH:48][CH:40]([CH:39]([CH2:38][CH:37]([C:36]([NH:35][CH2:34][CH2:33][C:32]([CH3:31])([CH3:52])[CH3:53])=[O:51])[CH3:50])[OH:49])[CH2:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[s:27]1